N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide

C26H26N6O3 — CID 134478084

IUPACN-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCc1nnc(C)c2cc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccccc5)CC4)n3)ccc12
InChIInChI=1S/C26H26N6O3/c1-16-21-9-8-20(14-22(21)17(2)30-29-16)24-28-26(35-31-24)19-10-12-32(13-11-19)23(33)15-27-25(34)18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,27,34)
InChIKeyYMTRYYGGBDBLRF-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.43
Rot. Bonds5

About N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 134478084) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID134478084
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC NameN-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCc1nnc(C)c2cc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccccc5)CC4)n3)ccc12
InChIInChI=1S/C26H26N6O3/c1-16-21-9-8-20(14-22(21)17(2)30-29-16)24-28-26(35-31-24)19-10-12-32(13-11-19)23(33)15-27-25(34)18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,27,34)
InChIKeyYMTRYYGGBDBLRF-UHFFFAOYSA-N
XLogP3.43
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 147766003
N-[2-[4-[3-(4-ethyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134477962
N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 53130355
N-[2-[4-[3-[4-methanimidoyl-3-(oxetan-3-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134478223
N-[1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 134477579
1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 146948181
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenylbutan-1-one
CID 42760385
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-diphenylethanone
CID 42760384
N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 53005791
3-cyano-N-[2-[4-[3-[4-methanimidoyl-3-(propan-2-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134478623
1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 134478036
(2R)-2-cyclopropyl-1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 148630812

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide (CID 134478084) is N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide is Cc1nnc(C)c2cc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccccc5)CC4)n3)ccc12.
What is the InChIKey of N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is YMTRYYGGBDBLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-16-21-9-8-20(14-22(21)17(2)30-29-16)24-28-26(35-31-24)19-10-12-32(13-11-19)23(33)15-27-25(34)18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,27,34).
What are the key properties of N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 470.53 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(1,4-dimethylphthalazin-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 134478084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).